3,7-dimethyl-1-(phenylmethyl)-8-prop-2-ynoxy-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-prop-2-ynoxy-purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-prop-2-ynoxy-purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-prop-2-ynoxypurine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-prop-2-ynoxypurine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-propargyloxy-xanthine Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC#C)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1OCC#C)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C17H16N4O3/c1-4-10-24-16-18-14-13(19(16)2)15(22)21(17(23)20(14)3)11-12-8-6-5-7-9-12/h1,5-9H,10-11H2,2-3H3